Theophylline, 8-mercapto-2-thio-

Modify Date: 2025-09-20 18:27:05

Theophylline, 8-mercapto-2-thio- structure	Common Name	Theophylline, 8-mercapto-2-thio-
	CAS Number	1784-68-5	Molecular Weight	228.29500
	Density	1.67g/cm3	Boiling Point	306.7ºC at 760 mmHg
	Molecular Formula	C₇H₈N₄OS₂	Melting Point	N/A
	MSDS	N/A	Flash Point	139.3ºC

Name	1,3-dimethyl-2,8-bis(sulfanylidene)-7,9-dihydropurin-6-one
Synonym	More Synonyms

Density	1.67g/cm3
Boiling Point	306.7ºC at 760 mmHg
Molecular Formula	C₇H₈N₄OS₂
Molecular Weight	228.29500
Flash Point	139.3ºC
Exact Mass	228.01400
PSA	122.69000
LogP	0.99220
Vapour Pressure	0.000761mmHg at 25°C
Index of Refraction	1.816
InChIKey	ICPOMCAMXKYSKE-UHFFFAOYSA-N
SMILES	Cn1c(=O)c2[nH]c(=S)[nH]c2n(C)c1=S

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04416

HS Code	2933990090

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

8-Mercapto-thiotheophyllin

2-Thio-8-mercaptotheophylline

8-mercapto-2-thiotheophylline

Theophylline,8-mercapto-2-thio

1,3-dimethyl-2,8-dithioxo-1,2,3,7,8,9-hexahydro-purin-6-one

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